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(6E)-6-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-3-methyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 27IudENBGYV
InChI InChI=1S/C23H20BrN3O3S/c1-14-4-3-5-17(10-14)29-8-9-30-20-7-6-16(12-19(20)24)11-18-21(25)27-15(2)13-31-23(27)26-22(18)28/h3-7,10-13,25H,8-9H2,1-2H3/b18-11+,25-21?
InChIKey RACCMLBUXICREP-SPXSAIPKSA-N
Mol Weight 498.4 g/mol
Molecular Formula C23H20BrN3O3S
Exact Mass 497.040876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ifz5FpdH4vx
Name (6E)-6-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-3-methyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.040875687 u
Formula C23H20BrN3O3S
InChI InChI=1S/C23H20BrN3O3S/c1-14-4-3-5-17(10-14)29-8-9-30-20-7-6-16(12-19(20)24)11-18-21(25)27-15(2)13-31-23(27)26-22(18)28/h3-7,10-13,25H,8-9H2,1-2H3/b18-11+,25-21?
InChIKey RACCMLBUXICREP-SPXSAIPKSA-N
Molecular Weight 498.395 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_117
Solvent DMSO-d6
Source Vendor ID: NMR/12259774